1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide

C23H23N7O — CID 121103941

IUPAC1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cccc4cccnc34)C2)nn1
InChIInChI=1S/C23H23N7O/c1-16-24-12-14-30(16)21-10-9-20(27-28-21)29-13-4-7-18(15-29)23(31)26-19-8-2-5-17-6-3-11-25-22(17)19/h2-3,5-6,8-12,14,18H,4,7,13,15H2,1H3,(H,26,31)
InChIKeyYXAWOTZMGSLEBL-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.37
Rot. Bonds4

About 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide (PubChem CID 121103941) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
PubChem CID121103941
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cccc4cccnc34)C2)nn1
InChIInChI=1S/C23H23N7O/c1-16-24-12-14-30(16)21-10-9-20(27-28-21)29-13-4-7-18(15-29)23(31)26-19-8-2-5-17-6-3-11-25-22(17)19/h2-3,5-6,8-12,14,18H,4,7,13,15H2,1H3,(H,26,31)
InChIKeyYXAWOTZMGSLEBL-UHFFFAOYSA-N
XLogP3.37
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
methyl 2-[[1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121103795
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
CID 121103913
N-(3-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103828
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832
N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103999
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103838
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 121104107
N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104008
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide (CID 121103941) is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide is Cc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cccc4cccnc34)C2)nn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide?
The InChIKey is YXAWOTZMGSLEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-16-24-12-14-30(16)21-10-9-20(27-28-21)29-13-4-7-18(15-29)23(31)26-19-8-2-5-17-6-3-11-25-22(17)19/h2-3,5-6,8-12,14,18H,4,7,13,15H2,1H3,(H,26,31).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide is sourced from PubChem (CID 121103941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).